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Substance Name: 2,4-Pentanedione, 3-(1-hydroxy-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-
RN: 15700-73-9
InChIKey: YWWBVUKXYSHFSO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H8-F6-O3

Molecular Weight

  • 266.136
 
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Names and Synonyms

Synonyms

  • 2-Propanol, 1,1-diacetyl-3,3,3-trifluoro-2-(trifluoromethyl)-
  • 3-(1-Hydroxy-2-trifluoro-1-(trifluoromethyl)ethyl)-2,4-pentanedione

Systematic Name

  • 2,4-Pentanedione, 3-(1-hydroxy-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-

Registry Numbers

CAS Registry Number

  • 15700-73-9

System Generated Number

  • 0015700739

Structure Descriptors

InChI

1S/C8H8F6O3/c1-3(15)5(4(2)16)6(17,7(9,10)11)8(12,13)14/h5,17H,1-2H3

InChIKey

YWWBVUKXYSHFSO-UHFFFAOYSA-N

Smiles

C(C(C(=O)C)C(=O)C)(C(F)(F)F)(C(F)(F)F)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1215, 1970.
mouse LD50 oral 400mg/kg (400mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1215, 1970.